(2S)-2-[2-[[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-[[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-[[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-[[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-[[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-[[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-3-methyl-butyric acid Formula: C48H70N12O14 MolecularWeight: 1039.1414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)NCC(=O)NC(C(C)C)C(=O)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C48H70N12O14/c1-9-25(8)40(60-43(67)32(17-36(63)64)54-44(68)37(49)22(2)3)46(70)56-31(15-27-19-50-21-53-27)42(66)59-38(23(4)5)45(69)55-30(14-26-18-51-29-13-11-10-12-28(26)29)41(65)57-33(47(71)72)16-34(61)52-20-35(62)58-39(24(6)7)48(73)74/h10-13,18-19,21-25,30-33,37-40,51H,9,14-17,20,49H2,1-8H3,(H,50,53)(H,52,61)(H,54,68)(H,55,69)(H,56,70)(H,57,65)(H,58,62)(H,59,66)(H,60,67)(H,63,64)(H,71,72)(H,73,74)/t25-,30-,31-,32-,33-,37-,38-,39-,40-/m0/s1