CAS 119425-35-3 | L-Valine, L-lysylglycyl-L-isoleucyl-L-leucylglycyl-L-lysyl-L-valyl-L-phenylalanyl-L-threonyl-L-leucyl-L-threonyl- (9CI) | CAS Number 119425-35-3

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119425-35-3 | L-Valine, L-lysylglycyl-L-isoleucyl-L-leucylglycyl-L-lysyl-L-valyl-L-phenylalanyl-L-threonyl-L-leucyl-L-threonyl- (9CI)

CAS No: 119425-35-3 Catalog No: AG000IQS MDL No:

Product Description

Catalog Number:

AG000IQS

Chemical Name:

L-Valine, L-lysylglycyl-L-isoleucyl-L-leucylglycyl-L-lysyl-L-valyl-L-phenylalanyl-L-threonyl-L-leucyl-L-threonyl- (9CI)

CAS Number:

119425-35-3

Molecular Formula:

C61H106N14O15

Molecular Weight:

1275.5791

IUPAC Name:

(2S)-2-[[(2S,3R)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid

InChI:

InChI=1S/C61H106N14O15/c1-13-36(10)49(71-46(79)31-65-52(80)40(64)23-17-19-25-62)58(86)68-42(27-32(2)3)53(81)66-30-45(78)67-41(24-18-20-26-63)54(82)72-47(34(6)7)57(85)70-44(29-39-21-15-14-16-22-39)56(84)74-50(37(11)76)59(87)69-43(28-33(4)5)55(83)75-51(38(12)77)60(88)73-48(35(8)9)61(89)90/h14-16,21-22,32-38,40-44,47-51,76-77H,13,17-20,23-31,62-64H2,1-12H3,(H,65,80)(H,66,81)(H,67,78)(H,68,86)(H,69,87)(H,70,85)(H,71,79)(H,72,82)(H,73,88)(H,74,84)(H,75,83)(H,89,90)/t36-,37+,38+,40-,41-,42-,43?,44-,47-,48-,49-,50-,51-/m0/s1

InChI Key:

NBOKFONQQZRHRY-LLRUCICQSA-N

SMILES:

NCCCC[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)O)C(C)C)[C@H](O)C)CC(C)C)[C@H](O)C)Cc1ccccc1)C(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H](CCCCN)N)CC(C)C