(4S)-5-[[(2S,3S)-1-[[(2S)-4-azanyl-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(2-azanylethanoylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S,3S)-1-[[(2S)-4-azanyl-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(2-azanylethanoylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(2-aminoacetyl)amino]-5-[[(1S,2S)-1-[[(1S)-3-amino-1-[[2-[[(1S)-2-[[(1S)-2-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-1-oxoethyl)amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[(2-aminoacetyl)amino]-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S,2S)-1-[[(1S)-3-amino-1-[[2-[[(1S)-2-[[(1S)-2-[[(1S)-3-amino-1-carboxy-3-keto-propyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-methyl-butyl]amino]-4-(glycylamino)-5-keto-valeric acid Formula: C29H48N10O14 MolecularWeight: 760.75002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N10O14/c1-4-12(2)23(39-26(49)14(5-6-22(45)46)35-20(43)9-30)28(51)37-15(7-18(31)41)25(48)33-10-21(44)36-17(11-40)27(50)34-13(3)24(47)38-16(29(52)53)8-19(32)42/h12-17,23,40H,4-11,30H2,1-3H3,(H2,31,41)(H2,32,42)(H,33,48)(H,34,50)(H,35,43)(H,36,44)(H,37,51)(H,38,47)(H,39,49)(H,45,46)(H,52,53)/t12-,13-,14-,15-,16-,17-,23-/m0/s1