(4S)-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]-4-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic ac

Systemtic Name: (4S)-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]-4-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic ac Openeye Name: (4S)-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]-4-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-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]-4-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-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]-4-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-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]-4-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C40H64N14O20 MolecularWeight: 1061.01796

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

InChI

InChI=1S/C40H64N14O20/c1-16(31(65)52-23(15-55)36(70)50-22(13-29(63)64)35(69)53-30(17(2)56)39(73)74)47-34(68)19(5-3-9-45-40(43)44)48-26(58)14-46-33(67)21(12-25(42)57)51-37(71)24-6-4-10-54(24)38(72)20(7-8-27(59)60)49-32(66)18(41)11-28(61)62/h16-24,30,55-56H,3-15,41H2,1-2H3,(H2,42,57)(H,46,67)(H,47,68)(H,48,58)(H,49,66)(H,50,70)(H,51,71)(H,52,65)(H,53,69)(H,59,60)(H,61,62)(H,63,64)(H,73,74)(H4,43,44,45)/t16-,17+,18-,19-,20-,21-,22-,23-,24-,30-/m0/s1