(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[2-(2-azanylethanoylamino)ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[2-(2-azanylethanoylamino)ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]hexanamide Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]hexanamide CAS Name: (2S)-6-amino-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]hexanamide Traditional Name: (2S)-6-amino-N-[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-(glycylamino)acetyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide Formula: C38H59N13O10 MolecularWeight: 857.95616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)N)NC(=O)C(C(C)O)NC(=O)CNC(=O)CN

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N)NC(=O)CNC(=O)CN)O

InChI

InChI=1S/C38H59N13O10/c1-21(2)32(51-38(61)33(22(3)52)50-31(56)19-44-29(54)15-40)37(60)49-27(14-24-16-42-20-46-24)36(59)48-26(13-23-9-5-4-6-10-23)35(58)47-25(11-7-8-12-39)34(57)45-18-30(55)43-17-28(41)53/h4-6,9-10,16,20-22,25-27,32-33,52H,7-8,11-15,17-19,39-40H2,1-3H3,(H2,41,53)(H,42,46)(H,43,55)(H,44,54)(H,45,57)(H,47,58)(H,48,59)(H,49,60)(H,50,56)(H,51,61)/t22-,25+,26+,27+,32+,33+/m1/s1