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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-keto-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C57H79N17O10 MolecularWeight: 1162.34506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCCCN)NC(=O)C(CC5=CN=CN5)NC(=O)C(CCC(=O)N)NC(=O)C(CC6=CN=CN6)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C57H79N17O10/c1-32(2)21-44(53(79)74-48(57(83)84)23-34-27-65-41-15-6-4-12-38(34)41)71-54(80)45(22-33-26-64-40-14-5-3-11-37(33)40)72-51(77)42(16-8-10-20-59)68-56(82)47(25-36-29-63-31-67-36)73-52(78)43(17-18-49(61)75)69-55(81)46(24-35-28-62-30-66-35)70-50(76)39(60)13-7-9-19-58/h3-6,11-12,14-15,26-32,39,42-48,64-65H,7-10,13,16-25,58-60H2,1-2H3,(H2,61,75)(H,62,66)(H,63,67)(H,68,82)(H,69,81)(H,70,76)(H,71,80)(H,72,77)(H,73,78)(H,74,79)(H,83,84)/t39-,42-,43-,44-,45-,46-,47-,48-/m0/s1