CAS 87601-79-4 | D-Histidinamide, L-tyrosyl-D-tryptophyl-L-alanyl-L-tryptophyl- | CAS Number 87601-79-4

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87601-79-4 | D-Histidinamide, L-tyrosyl-D-tryptophyl-L-alanyl-L-tryptophyl-

CAS No: 87601-79-4 Catalog No: AG004I36 MDL No:

Product Description

Catalog Number:

AG004I36

Chemical Name:

D-Histidinamide, L-tyrosyl-D-tryptophyl-L-alanyl-L-tryptophyl-

CAS Number:

87601-79-4

Molecular Formula:

C40H44N10O6

Molecular Weight:

760.8408

IUPAC Name:

(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

InChI:

InChI=1S/C40H44N10O6/c1-22(37(53)49-35(16-25-19-45-32-9-5-3-7-29(25)32)40(56)48-33(36(42)52)17-26-20-43-21-46-26)47-39(55)34(15-24-18-44-31-8-4-2-6-28(24)31)50-38(54)30(41)14-23-10-12-27(51)13-11-23/h2-13,18-22,30,33-35,44-45,51H,14-17,41H2,1H3,(H2,42,52)(H,43,46)(H,47,55)(H,48,56)(H,49,53)(H,50,54)/t22-,30-,33+,34+,35-/m0/s1

InChI Key:

KHNHAEHGJAQTBS-IKWZMJLVSA-N

SMILES:

O=C([C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)N)C)N[C@H](C(=O)N[C@@H](C(=O)N)Cc1c[nH]cn1)Cc1c[nH]c2c1cccc2