(2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-(3-azanylpropanoylamino)-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-(3-azanylpropanoylamino)-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: (2S)-N-[2-[[(1S)-2-[[(1S)-2-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-(3-aminopropanoylamino)-5-guanidino-pentanamide CAS Name: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(3-amino-1-oxopropyl)amino]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-(3-aminopropanoylamino)-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-N-[2-[[(1S)-2-[[(1S)-2-[[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]-2-(3-aminopropanoylamino)-5-guanidino-valeramide Formula: C38H50N10O7 MolecularWeight: 758.8664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CCN

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN

InChI

InChI=1S/C38H50N10O7/c39-18-17-32(50)45-28(12-7-19-43-38(41)42)35(53)44-23-33(51)46-30(21-24-8-3-1-4-9-24)36(54)48-31(22-25-10-5-2-6-11-25)37(55)47-29(34(40)52)20-26-13-15-27(49)16-14-26/h1-6,8-11,13-16,28-31,49H,7,12,17-23,39H2,(H2,40,52)(H,44,53)(H,45,50)(H,46,51)(H,47,55)(H,48,54)(H4,41,42,43)/t28-,29-,30-,31-/m0/s1