(2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Phenylpropanoyl]Amino]Hexanamide
[CAS# 118476-85-0]

Identification

• Name: (2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Phenylpropanoyl]Amino]Hexanamide
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Hexanamide; (2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Hexanamide; (2S)-6-Amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Hexanamide
• Molecular Formula: C₃₀H₄₅N₉O₅
• Molecular Weight: 611.74
• CAS Registry Number: 118476-85-0
• SMILES: [C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)(CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N
• InChI: 1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1
• InChIKey: UEVAHGMTRWGMTB-JBXUNAHCSA-N