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

Systemtic Name: (4S)-4-azanyl-5-[(2S)-2-[[(2S)-4-azanyl-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[(2S)-2-[[(1S)-3-amino-1-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[(2S)-2-[[[(2S)-4-amino-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[(2S)-2-[[(2S)-4-amino-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[(2S)-2-[[(1S)-3-amino-1-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C36H59N13O17 MolecularWeight: 945.93056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)N)O

InChI

InChI=1S/C36H59N13O17/c1-15(28(58)47-21(14-50)32(62)45-20(12-26(56)57)31(61)48-27(16(2)51)35(65)66)43-30(60)18(5-3-9-41-36(39)40)44-24(53)13-42-29(59)19(11-23(38)52)46-33(63)22-6-4-10-49(22)34(64)17(37)7-8-25(54)55/h15-22,27,50-51H,3-14,37H2,1-2H3,(H2,38,52)(H,42,59)(H,43,60)(H,44,53)(H,45,62)(H,46,63)(H,47,58)(H,48,61)(H,54,55)(H,56,57)(H,65,66)(H4,39,40,41)/t15-,16+,17-,18-,19-,20-,21-,22-,27-/m0/s1