CAS 138220-00-5 | L-Aspartamide, glycyl-L-isoleucylglycyl-L-alanyl-L-seryl-L-isoleucyl-L-leucyl-L-seryl-L-alanylglycyl-L-lysyl-L-seryl-L-alanyl-L-leucyl-L-lysylglycyl-L-leucyl-L-alanyl-L-lysylglycyl-L-leucyl-L-alanyl-L-α-glutamyl-L-histidyl-L-phenylalanyl-L-alanyl- (9CI) | CAS Number 138220-00-5

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138220-00-5 | L-Aspartamide, glycyl-L-isoleucylglycyl-L-alanyl-L-seryl-L-isoleucyl-L-leucyl-L-seryl-L-alanylglycyl-L-lysyl-L-seryl-L-alanyl-L-leucyl-L-lysylglycyl-L-leucyl-L-alanyl-L-lysylglycyl-L-leucyl-L-alanyl-L-α-glutamyl-L-histidyl-L-phenylalanyl-L-alanyl- (9CI)

CAS No: 138220-00-5 Catalog No: AG0018BJ MDL No:

Product Description

Catalog Number:

AG0018BJ

Chemical Name:

L-Aspartamide, glycyl-L-isoleucylglycyl-L-alanyl-L-seryl-L-isoleucyl-L-leucyl-L-seryl-L-alanylglycyl-L-lysyl-L-seryl-L-alanyl-L-leucyl-L-lysylglycyl-L-leucyl-L-alanyl-L-lysylglycyl-L-leucyl-L-alanyl-L-α-glutamyl-L-histidyl-L-phenylalanyl-L-alanyl- (9CI)

CAS Number:

138220-00-5

Molecular Formula:

C115H194N34O33

Molecular Weight:

2580.9789

IUPAC Name:

(3S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid

InChI:

InChI=1S/C115H194N34O33/c1-19-61(11)92(147-86(154)47-119)114(181)126-49-87(155)128-64(14)95(162)144-84(55-152)113(180)148-93(62(12)20-2)115(182)143-78(43-60(9)10)108(175)146-83(54-151)111(178)129-63(13)94(161)123-50-88(156)134-74(34-26-29-39-118)103(170)145-82(53-150)112(179)133-67(17)97(164)139-77(42-59(7)8)107(174)138-73(33-25-28-38-117)102(169)125-52-90(158)135-75(40-57(3)4)104(171)130-65(15)96(163)137-72(32-24-27-37-116)101(168)124-51-89(157)136-76(41-58(5)6)105(172)132-68(18)99(166)149-110(177)81(46-91(159)160)140-98(165)66(16)131-106(173)79(44-69-30-22-21-23-31-69)142-109(176)80(45-70-48-122-56-127-70)141-100(167)71(120)35-36-85(121)153/h21-23,30-31,48,56-68,70-84,92-93,150-152H,19-20,24-29,32-47,49-55,116-120H2,1-18H3,(H2,121,153)(H,123,161)(H,124,168)(H,125,169)(H,126,181)(H,128,155)(H,129,178)(H,130,171)(H,131,173)(H,132,172)(H,133,179)(H,134,156)(H,135,158)(H,136,157)(H,137,163)(H,138,174)(H,139,164)(H,140,165)(H,141,167)(H,142,176)(H,143,182)(H,144,162)(H,145,170)(H,146,175)(H,147,154)(H,148,180)(H,159,160)(H,149,166,177)/t61-,62-,63-,64-,65-,66-,67-,68-,70?,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1

InChI Key:

BVYRHZUKPPVMAQ-JGKRARPPSA-N

SMILES:

NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)C)Cc1ccccc1)Cc1nc[nH]c1)CCC(=O)O)C)CC(C)C)CCCCN)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)CN)C)CO)CC(C)C)CO)C)CCCCN)CO)C)CC(C)C