(2S)-6-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanamide

Systemtic Name: (2S)-6-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanamide Openeye Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]hexanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]pentyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]hexanamide CAS Name: (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-6-amino-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]hexanamide IUPAC Name: (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]hexanamide Traditional Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]hexanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]pentyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]hexanamide Formula: C45H73N11O8 MolecularWeight: 896.13002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C45H73N11O8/c1-29(2)25-36(39(50)58)54-42(61)34(20-10-13-23-47)53-44(63)37(27-31-17-7-4-8-18-31)55-45(64)38(28-57)56-43(62)35(21-11-14-24-48)52-41(60)33(19-9-12-22-46)51-40(59)32(49)26-30-15-5-3-6-16-30/h3-8,15-18,29,32-38,57H,9-14,19-28,46-49H2,1-2H3,(H2,50,58)(H,51,59)(H,52,60)(H,53,63)(H,54,61)(H,55,64)(H,56,62)/t32-,33-,34-,35-,36-,37-,38-/m0/s1