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

Systemtic Name: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]-5-keto-pyrrolidine-2-carboxamide Formula: C28H43N9O6 MolecularWeight: 601.69772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C2CCC(=O)N2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H]2CCC(=O)N2

InChI

InChI=1S/C28H43N9O6/c1-16(2)13-21(37-27(43)19-10-11-22(38)34-19)25(41)33-15-23(39)35-18(9-6-12-32-28(30)31)26(42)36-20(24(29)40)14-17-7-4-3-5-8-17/h3-5,7-8,16,18-21H,6,9-15H2,1-2H3,(H2,29,40)(H,33,41)(H,34,38)(H,35,39)(H,36,42)(H,37,43)(H4,30,31,32)/t18-,19-,20-,21-/m0/s1