(3S)-4-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene- Openeye Name: (3S)-4-[[(1S)-2-[[(1S,2S)-1-[(2S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-3-[[(2S)-2-aminopropanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2-amino-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-[[(1S,2S)-1-[(2S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]amino]-2-keto-1-methylol-ethyl]amino]-3-[[(2S)-2-aminopropanoyl]amino]-4-keto-butyric acid Formula: C52H87N15O20 MolecularWeight: 1242.33568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C52H87N15O20/c1-9-24(6)40(66-48(82)32(20-68)63-46(80)31(19-38(73)74)60-41(75)25(7)53)51(85)67-16-10-11-34(67)49(83)62-30(18-37(56)72)47(81)65-39(23(4)5)50(84)59-28(13-15-36(55)71)43(77)61-29(17-22(2)3)45(79)57-26(8)42(76)58-27(12-14-35(54)70)44(78)64-33(21-69)52(86)87/h22-34,39-40,68-69H,9-21,53H2,1-8H3,(H2,54,70)(H2,55,71)(H2,56,72)(H,57,79)(H,58,76)(H,59,84)(H,60,75)(H,61,77)(H,62,83)(H,63,80)(H,64,78)(H,65,81)(H,66,82)(H,73,74)(H,86,87)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,39-,40-/m0/s1