(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C38H56N12O11 MolecularWeight: 856.92504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N12O11/c1-18(32(54)46-25(10-6-7-11-39)33(55)49-28(38(60)61)12-21-15-43-24-9-5-4-8-23(21)24)45-34(56)27(14-29(40)53)47-35(57)26(13-22-16-42-17-44-22)48-37(59)31(20(3)52)50-36(58)30(41)19(2)51/h4-5,8-9,15-20,25-28,30-31,43,51-52H,6-7,10-14,39,41H2,1-3H3,(H2,40,53)(H,42,44)(H,45,56)(H,46,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,60,61)/t18-,19+,20+,25-,26-,27-,28-,30-,31-/m0/s1