(2S)-1-[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-N-[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-N-[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1R)-1-benzyl-2-[[(1S)-1-formyl-4-guanidino-butyl]amino]-2-oxo-ethyl]-methyl-amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-N-[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]prolyl]-N-[2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1R)-1-benzyl-2-[[(1S)-1-formyl-4-guanidino-butyl]amino]-2-keto-ethyl]-methyl-amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C46H68N14O9 MolecularWeight: 961.12052

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C=O)C(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C=O)C(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C46H68N14O9/c1-58(37(25-30-14-6-3-7-15-30)41(66)55-31(27-61)16-8-20-52-45(48)49)43(68)34(28-62)57-39(64)33(24-29-12-4-2-5-13-29)56-38(63)26-54-40(65)35-18-10-22-59(35)44(69)36-19-11-23-60(36)42(67)32(47)17-9-21-53-46(50)51/h2-7,12-15,27,31-37,62H,8-11,16-26,28,47H2,1H3,(H,54,65)(H,55,66)(H,56,63)(H,57,64)(H4,48,49,52)(H4,50,51,53)/t31-,32-,33-,34-,35-,36-,37+/m0/s1