(2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1R)-1-carbamoyl-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2,4-dinitrophenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1R)-1-carbamoyl-4-guanidino-butyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide Formula: C45H64N14O11 MolecularWeight: 977.07686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C3CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C45H64N14O11/c1-24(2)18-32(56-44(66)36-13-9-17-57(36)35-15-14-28(58(67)68)21-37(35)59(69)70)41(63)51-23-38(60)53-33(19-25(3)4)43(65)55-34(20-27-22-50-30-11-7-6-10-29(27)30)42(64)52-26(5)40(62)54-31(39(46)61)12-8-16-49-45(47)48/h6-7,10-11,14-15,21-22,24-26,31-34,36,50H,8-9,12-13,16-20,23H2,1-5H3,(H2,46,61)(H,51,63)(H,52,64)(H,53,60)(H,54,62)(H,55,65)(H,56,66)(H4,47,48,49)/t26-,31+,32-,33-,34-,36-/m0/s1