(2S)-N-[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[(2S,3R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[(2S,3R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S,3R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]-N-[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S,3R)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S,3R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]-N-[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide Formula: C30H49N9O6 MolecularWeight: 631.76676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)N)O

InChI

InChI=1S/C30H49N9O6/c1-17(2)15-22(25(32)41)37-27(43)21(11-7-13-35-30(33)34)36-28(44)23-12-8-14-39(23)29(45)24(18(3)40)38-26(42)20(31)16-19-9-5-4-6-10-19/h4-6,9-10,17-18,20-24,40H,7-8,11-16,31H2,1-3H3,(H2,32,41)(H,36,44)(H,37,43)(H,38,42)(H4,33,34,35)/t18-,20+,21+,22+,23+,24+/m1/s1