(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]butanoyl]amino]-5-oxidanylidene-pentanoyl]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)-5-azanyl-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]butanoyl]amino]-5-oxidanylidene-pentanoyl]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)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]butanoyl]amino]-5-oxo-pentanoyl]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)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-1-oxopentyl]amino]-1-oxobutyl]amino]-1,5-dioxopentyl]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)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]butanoyl]amino]-5-oxopentanoyl]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)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]butanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-valeric acid Formula: C42H69N11O11 MolecularWeight: 904.06436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC)NC(=O)C(CCCN)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)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)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC)NC(=O)[C@H](CCCN)N

InChI

InChI=1S/C42H69N11O11/c1-7-22(4)33(52-38(59)28(17-18-31(45)54)49-37(58)27(9-3)48-36(57)26(44)16-13-19-43)41(62)51-29(20-25-14-11-10-12-15-25)39(60)47-24(6)35(56)50-30(21-32(46)55)40(61)53-34(42(63)64)23(5)8-2/h10-12,14-15,22-24,26-30,33-34H,7-9,13,16-21,43-44H2,1-6H3,(H2,45,54)(H2,46,55)(H,47,60)(H,48,57)(H,49,58)(H,50,56)(H,51,62)(H,52,59)(H,53,61)(H,63,64)/t22-,23-,24-,26-,27-,28-,29-,30-,33-,34-/m0/s1