(4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-5-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-pentanoyl]amino]-5-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]pentyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C46H71N13O14S MolecularWeight: 1062.19964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H71N13O14S/c1-23(2)38(45(71)52-22-36(62)54-29(11-7-8-17-47)40(66)53-24(3)46(72)73)59-43(69)31(13-15-37(63)64)56-41(67)30(12-14-34(49)60)57-44(70)33(19-25-21-51-28-10-6-5-9-26(25)28)58-42(68)32(16-18-74-4)55-39(65)27(48)20-35(50)61/h5-6,9-10,21,23-24,27,29-33,38,51H,7-8,11-20,22,47-48H2,1-4H3,(H2,49,60)(H2,50,61)(H,52,71)(H,53,66)(H,54,62)(H,55,65)(H,56,67)(H,57,70)(H,58,68)(H,59,69)(H,63,64)(H,72,73)/t24-,27+,29+,30+,31+,32+,33+,38+/m1/s1