(4S)-4-azanyl-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]a

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]a Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentan IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentan Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-5-keto-valeric acid Formula: C58H99N15O23 MolecularWeight: 1374.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H99N15O23/c1-11-27(6)44(56(93)69-36(22-25(2)3)50(87)62-24-39(77)63-28(7)48(85)70-43(26(4)5)55(92)73-46(31(10)75)58(95)96)71-54(91)37(23-42(82)83)68-52(89)34(16-18-38(61)76)65-47(84)29(8)64-51(88)33(14-12-13-21-59)67-57(94)45(30(9)74)72-53(90)35(17-20-41(80)81)66-49(86)32(60)15-19-40(78)79/h25-37,43-46,74-75H,11-24,59-60H2,1-10H3,(H2,61,76)(H,62,87)(H,63,77)(H,64,88)(H,65,84)(H,66,86)(H,67,94)(H,68,89)(H,69,93)(H,70,85)(H,71,91)(H,72,90)(H,73,92)(H,78,79)(H,80,81)(H,82,83)(H,95,96)/t27-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,43-,44-,45-,46-/m0/s1