(3S)-3-[[(2S)-4-azanyl-2-(2-azanylethanoylamino)-4-oxidanylidene-butanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-4-azanyl-2-(2-azanylethanoylamino)-4-oxidanylidene-butanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxo-butanoyl]amino]-4-[[(1S)-2-[(2S)-2-[[(1S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-4-amino-2-[(2-amino-1-oxoethyl)amino]-1,4-dioxobutyl]amino]-4-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-4-amino-2-(glycylamino)-4-keto-butanoyl]amino]-4-[[(1S)-2-[(2S)-2-[[(1S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]pyrrolidino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C43H50N12O11 MolecularWeight: 910.9309

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)CN)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)CN)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C43H50N12O11/c44-17-36(57)50-30(15-35(45)56)39(61)51-31(16-37(58)59)40(62)53-32(12-22-18-47-27-8-3-1-6-25(22)27)42(64)55-11-5-10-34(55)41(63)52-29(14-24-20-46-21-49-24)38(60)54-33(43(65)66)13-23-19-48-28-9-4-2-7-26(23)28/h1-4,6-9,18-21,29-34,47-48H,5,10-17,44H2,(H2,45,56)(H,46,49)(H,50,57)(H,51,61)(H,52,63)(H,53,62)(H,54,60)(H,58,59)(H,65,66)/t29-,30-,31-,32-,33-,34-/m0/s1