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

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S,3R)-1-[[5-azanyl-1-[[(2S)-1-[[(2S)-4-azanyl-1-[(2S)-2-[[2-[[(2S)-5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S,2R)-1-[[4-amino-1-[[(1S)-1-[[(1S)-3-amino-1-[(2S)-2-[[2-[[(1S)-4-amino-1-carboxy-4-oxo-butyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[[2-[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[2-[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S,2R)-1-[[4-amino-1-[[(1S)-1-[[(1S)-3-amino-1-[(2S)-2-[[2-[[(1S)-4-amino-1-carboxy-4-keto-butyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-keto-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-(methylthio)propyl]amino]-5-keto-valeric acid Formula: C40H68N12O15S MolecularWeight: 989.10432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCN)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)NC(CCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)N)O

InChI

InChI=1S/C40H68N12O15S/c1-19(2)31(37(63)49-25(17-28(44)55)39(65)52-15-6-8-26(52)36(62)45-18-29(56)46-24(40(66)67)10-11-27(43)54)50-34(60)22(7-5-14-41)48-38(64)32(20(3)53)51-35(61)23(13-16-68-4)47-33(59)21(42)9-12-30(57)58/h19-26,31-32,53H,5-18,41-42H2,1-4H3,(H2,43,54)(H2,44,55)(H,45,62)(H,46,56)(H,47,59)(H,48,64)(H,49,63)(H,50,60)(H,51,61)(H,57,58)(H,66,67)/t20-,21+,22?,23+,24+,25+,26+,31+,32+/m1/s1