(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]prolyl]prolyl]amino]-3-methyl-butyric acid Formula: C54H75N11O11S MolecularWeight: 1086.3054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C54H75N11O11S/c1-30(2)44(61-47(68)37(21-25-77-5)58-46(67)35(55)28-43(56)66)53(74)64-23-12-18-40(64)49(70)59-38(26-32-14-7-6-8-15-32)48(69)60-39(27-33-29-57-36-17-10-9-16-34(33)36)51(72)65-24-13-20-42(65)52(73)63-22-11-19-41(63)50(71)62-45(31(3)4)54(75)76/h6-10,14-17,29-31,35,37-42,44-45,57H,11-13,18-28,55H2,1-5H3,(H2,56,66)(H,58,67)(H,59,70)(H,60,69)(H,61,68)(H,62,71)(H,75,76)/t35-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1