9H-fluoren-9-ylmethyl N-[(5S)-5-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[(2S,3R)-1-[[(2R)-1-[[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(5S)-5-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[(2S,3R)-1-[[(2R)-1-[[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(5S)-5-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[(1S,2R)-2-hydroxy-1-[[(1R)-2-[[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]propyl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-5-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-6-[[(2S,3R)-1-[[(2R)-1-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-6-oxohexyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(5S)-5-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[(2S,3R)-1-[[(2R)-1-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-6-oxohexyl]carbamate Traditional Name: N-[(5S)-5-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-mercapto-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[(1S,2R)-2-hydroxy-1-[[(1R)-2-[[(1R,2R)-2-hydroxy-1-methylol-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]propyl]amino]-6-keto-hexyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C64H78N10O12S2 MolecularWeight: 1243.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CO)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CS)NC(=O)C(CC7=CC=CC=C7)N)O

Isomeric SMILES

C[C@H]([C@@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CS)NC(=O)[C@@H](CC7=CC=CC=C7)N)O

InChI

InChI=1S/C64H78N10O12S2/c1-37(76)53(33-75)71-62(83)55(36-88)73-63(84)56(38(2)77)74-58(79)50(27-15-16-28-66-64(85)86-34-47-45-24-11-9-22-43(45)44-23-10-12-25-46(44)47)68-60(81)52(31-41-32-67-49-26-14-13-21-42(41)49)70-59(80)51(30-40-19-7-4-8-20-40)69-61(82)54(35-87)72-57(78)48(65)29-39-17-5-3-6-18-39/h3-14,17-26,32,37-38,47-48,50-56,67,75-77,87-88H,15-16,27-31,33-36,65H2,1-2H3,(H,66,85)(H,68,81)(H,69,82)(H,70,80)(H,71,83)(H,72,78)(H,73,84)(H,74,79)/t37-,38-,48-,50+,51+,52-,53-,54+,55+,56+/m1/s1