(4S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-tert-butoxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopentyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-tert-butoxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-valeric acid Formula: C50H58N8O10 MolecularWeight: 931.04312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C50H58N8O10/c1-50(2,3)68-47(65)42(25-29-18-20-31(59)21-19-29)57-45(63)40(22-23-43(60)61)56-44(62)39(17-10-24-53-48(51)52)55-46(64)41(26-30-27-54-38-16-9-8-11-32(30)38)58-49(66)67-28-37-35-14-6-4-12-33(35)34-13-5-7-15-36(34)37/h4-9,11-16,18-21,27,37,39-42,54,59H,10,17,22-26,28H2,1-3H3,(H,55,64)(H,56,62)(H,57,63)(H,58,66)(H,60,61)(H4,51,52,53)/t39-,40-,41-,42-/m0/s1