(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[2-[[(2S)-4-azanyl-1-[[(2S)-4-methyl-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-penta

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[2-[[(2S)-4-azanyl-1-[[(2S)-4-methyl-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-penta Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoyl]amino]-5-[[(1S,2S)-1-[[2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-5-[[(2S,3S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]propanoyl]amino]-5-[[(1S,2S)-1-[[2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-5-keto-valeric acid Formula: C50H83N15O20 MolecularWeight: 1214.28252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)N

InChI

InChI=1S/C50H83N15O20/c1-10-21(5)38(48(82)55-19-35(69)58-28(15-32(52)66)44(78)61-27(14-20(3)4)47(81)65-39(22(6)11-2)49(83)57-25(9)50(84)85)64-42(76)26(12-13-36(70)71)59-41(75)24(8)56-43(77)31(18-37(72)73)63-46(80)30(17-34(54)68)62-45(79)29(16-33(53)67)60-40(74)23(7)51/h20-31,38-39H,10-19,51H2,1-9H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,55,82)(H,56,77)(H,57,83)(H,58,69)(H,59,75)(H,60,74)(H,61,78)(H,62,79)(H,63,80)(H,64,76)(H,65,81)(H,70,71)(H,72,73)(H,84,85)/t21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,38-,39-/m0/s1