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

Systemtic Name: (4S)-4-azanyl-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pent Openeye Name: (4S)-4-amino-5-[(2S)-2-[[(1S)-1-[[(1S)-2-[[2-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[(2S)-2-[[(1S)-1-[[(1S)-2-[[2-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C42H70N14O18 MolecularWeight: 1059.0882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H70N14O18/c1-5-18(2)31(38(70)52-24(15-30(63)64)36(68)55-32(20(4)58)39(71)51-23(14-27(44)59)35(67)49-19(3)41(73)74)54-28(60)16-48-33(65)25(17-57)53-34(66)22(8-6-12-47-42(45)46)50-37(69)26-9-7-13-56(26)40(72)21(43)10-11-29(61)62/h18-26,31-32,57-58H,5-17,43H2,1-4H3,(H2,44,59)(H,48,65)(H,49,67)(H,50,69)(H,51,71)(H,52,70)(H,53,66)(H,54,60)(H,55,68)(H,61,62)(H,63,64)(H,73,74)(H4,45,46,47)/t18-,19-,20+,21-,22-,23-,24-,25-,26-,31-,32-/m0/s1