(4S)-4-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-5-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-5-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]-5-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid Formula: C38H53N11O13 MolecularWeight: 871.89332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CN=CN3)NC(=O)C(CO)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CO)N)O

InChI

InChI=1S/C38H53N11O13/c1-17(2)30(38(61)62)48-36(59)25(10-19-13-42-23-7-5-4-6-21(19)23)47-37(60)31(18(3)51)49-33(56)24(8-9-29(53)54)44-35(58)27(12-28(40)52)46-34(57)26(11-20-14-41-16-43-20)45-32(55)22(39)15-50/h4-7,13-14,16-18,22,24-27,30-31,42,50-51H,8-12,15,39H2,1-3H3,(H2,40,52)(H,41,43)(H,44,58)(H,45,55)(H,46,57)(H,47,60)(H,48,59)(H,49,56)(H,53,54)(H,61,62)/t18-,22+,24+,25+,26+,27+,30+,31+/m1/s1