(4S)-4-azanyl-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]amino]propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]amino]propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-4-guanidino-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-4-guanidino-butyl]amino]-5-keto-valeric acid Formula: C39H52N10O11S MolecularWeight: 868.95558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C39H52N10O11S/c40-24(12-14-31(50)51)33(54)45-26(11-6-16-43-39(41)42)34(55)46-27(13-15-32(52)53)35(56)48-29(18-22-19-44-25-10-5-4-9-23(22)25)37(58)47-28(17-21-7-2-1-3-8-21)36(57)49-30(20-61)38(59)60/h1-5,7-10,19,24,26-30,44,61H,6,11-18,20,40H2,(H,45,54)(H,46,55)(H,47,58)(H,48,56)(H,49,57)(H,50,51)(H,52,53)(H,59,60)(H4,41,42,43)/t24-,26-,27-,28-,29-,30-/m0/s1