CAS 165174-59-4 | L-Serinamide, L-threonyl-L-cysteinyl-L-α-aspartyl-L-α-aspartyl-L-prolyl-L-arginyl-L-phenylalanyl-L-glutaminyl-L-α-aspartyl-L-seryl- | CAS Number 165174-59-4

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165174-59-4 | L-Serinamide, L-threonyl-L-cysteinyl-L-α-aspartyl-L-α-aspartyl-L-prolyl-L-arginyl-L-phenylalanyl-L-glutaminyl-L-α-aspartyl-L-seryl-

CAS No: 165174-59-4 Catalog No: AG001VAH MDL No:

Product Description

Catalog Number:

AG001VAH

Chemical Name:

L-Serinamide, L-threonyl-L-cysteinyl-L-α-aspartyl-L-α-aspartyl-L-prolyl-L-arginyl-L-phenylalanyl-L-glutaminyl-L-α-aspartyl-L-seryl-

CAS Number:

165174-59-4

Molecular Formula:

C50H76N16O21S

Molecular Weight:

1269.2980

IUPAC Name:

(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

InChI:

InChI=1S/C50H76N16O21S/c1-22(69)38(52)48(86)65-32(21-88)46(84)61-27(16-35(71)72)43(81)62-29(18-37(75)76)49(87)66-14-6-10-33(66)47(85)58-24(9-5-13-56-50(54)55)40(78)59-26(15-23-7-3-2-4-8-23)42(80)57-25(11-12-34(51)70)41(79)60-28(17-36(73)74)44(82)64-31(20-68)45(83)63-30(19-67)39(53)77/h2-4,7-8,22,24-33,38,67-69,88H,5-6,9-21,52H2,1H3,(H2,51,70)(H2,53,77)(H,57,80)(H,58,85)(H,59,78)(H,60,79)(H,61,84)(H,62,81)(H,63,83)(H,64,82)(H,65,86)(H,71,72)(H,73,74)(H,75,76)(H4,54,55,56)/t22-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,38+/m1/s1

InChI Key:

MBJPCZSFILEVBC-MIDHUSEISA-N

SMILES:

SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)CO)CO)CC(=O)O)CCC(=O)N)Cc1ccccc1)CCCNC(=N)N)CC(=O)O)CC(=O)O)NC(=O)[C@H]([C@H](O)C)N