(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-5-azanyl-2-[[(2S)-2-azan

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-5-azanyl-2-[[(2S)-2-azan Openeye Name: (4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-1-carboxy-3-(methylthio)propyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C63H99N17O19S MolecularWeight: 1430.62766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)O)N

InChI

InChI=1S/C63H99N17O19S/c1-30(2)24-35(64)53(88)71-37(12-17-47(65)81)54(89)73-41(16-21-52(86)87)58(93)79-45(27-33-29-70-36-11-9-8-10-34(33)36)61(96)78-44(26-32(5)6)60(95)80-46(28-51(69)85)62(97)75-40(15-20-50(68)84)57(92)77-43(25-31(3)4)59(94)74-38(13-18-48(66)82)55(90)72-39(14-19-49(67)83)56(91)76-42(63(98)99)22-23-100-7/h8-11,29-32,35,37-46,70H,12-28,64H2,1-7H3,(H2,65,81)(H2,66,82)(H2,67,83)(H2,68,84)(H2,69,85)(H,71,88)(H,72,90)(H,73,89)(H,74,94)(H,75,97)(H,76,91)(H,77,92)(H,78,96)(H,79,93)(H,80,95)(H,86,87)(H,98,99)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1