(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpentanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpentanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopentanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopentyl]amino]-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopentanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopentanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-valeric acid Formula: C46H69N9O11 MolecularWeight: 924.09376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)CC)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)CC)C(=O)O)N

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N

InChI

InChI=1S/C46H69N9O11/c1-8-15-31(47)40(59)50-32(11-4)41(60)52-34(23-29-18-20-30(56)21-19-29)43(62)54-37(25(5)9-2)45(64)53-33(22-28-16-13-12-14-17-28)42(61)49-27(7)39(58)51-35(24-36(48)57)44(63)55-38(46(65)66)26(6)10-3/h12-14,16-21,25-27,31-35,37-38,56H,8-11,15,22-24,47H2,1-7H3,(H2,48,57)(H,49,61)(H,50,59)(H,51,58)(H,52,60)(H,53,64)(H,54,62)(H,55,63)(H,65,66)/t25-,26-,27-,31-,32-,33-,34-,35-,37-,38-/m0/s1