(2S)-N-[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-(3-phenylpropanoylamino)butanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-(3-phenylpropanoylamino)butanediamide Openeye Name: (2S)-N-[(1S)-2-[[(1S)-2-[2-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-methyl-carbamoyl]-3-methyl-butyl]carbamoyl]hydrazino]-1-benzyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-2-(3-phenylpropanoylamino)butanediamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]hydrazo]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[(1-oxo-3-phenylpropyl)amino]butanediamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-(3-phenylpropanoylamino)butanediamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-2-[N'-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]-methyl-carbamoyl]-3-methyl-butyl]carbamoyl]hydrazino]-1-benzyl-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]-2-(hydrocinnamoylamino)succinamide Formula: C48H67N13O10 MolecularWeight: 986.12668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)NNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)NNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C48H67N13O10/c1-29(2)24-36(46(70)61(3)38(20-13-23-53-47(51)52)45(69)55-33(41(50)65)25-31-16-9-5-10-17-31)58-48(71)60-59-44(68)34(26-32-18-11-6-12-19-32)56-43(67)37(28-62)57-42(66)35(27-39(49)63)54-40(64)22-21-30-14-7-4-8-15-30/h4-12,14-19,29,33-38,62H,13,20-28H2,1-3H3,(H2,49,63)(H2,50,65)(H,54,64)(H,55,69)(H,56,67)(H,57,66)(H,59,68)(H4,51,52,53)(H2,58,60,71)/t33-,34-,35-,36-,37-,38-/m0/s1