CAS 123951-94-0 | Butanoic acid, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-, methyl ester (9CI) | CAS Number 123951-94-0

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123951-94-0 | Butanoic acid, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-, methyl ester (9CI)

CAS No: 123951-94-0 Catalog No: AG000LA3 MDL No:

Product Description

Catalog Number:

AG000LA3

Chemical Name:

Butanoic acid, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-, methyl ester (9CI)

CAS Number:

123951-94-0

Molecular Formula:

C26H40N6O8

Molecular Weight:

564.6312

IUPAC Name:

methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoate

InChI:

InChI=1S/C26H40N6O8/c1-5-16(27)22(35)29-17(6-2)23(36)32-20(13-21(28)34)25(38)31-19(12-14-8-10-15(33)11-9-14)24(37)30-18(7-3)26(39)40-4/h8-11,16-20,33H,5-7,12-13,27H2,1-4H3,(H2,28,34)(H,29,35)(H,30,37)(H,31,38)(H,32,36)/t16-,17-,18-,19-,20-/m0/s1

InChI Key:

QUNVFBSOEZGKNZ-HVTWWXFQSA-N

SMILES:

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC)N)CC)CC(=O)N)Cc1ccc(cc1)O)CC