(4S)-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]ami

Systemtic Name: (4S)-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]ami Openeye Name: (4S)-5-[[(1S,2R)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-amino-4-methylsulfanyl-buta CAS Name: (4S)-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobuta IUPAC Name: (4S)-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]a Traditional Name: (4S)-5-[[(1S,2R)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-keto-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-amino-4-(methylthio)but Formula: C69H117N19O21S MolecularWeight: 1580.84698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C69H117N19O21S/c1-13-35(8)53(65(104)82-46(27-32(2)3)68(107)88-25-16-18-47(88)63(102)79-41(17-14-15-24-70)58(97)84-52(34(6)7)69(108)109)85-59(98)42(19-21-48(72)91)78-62(101)44(28-39-30-74-31-75-39)80-56(95)36(9)76-61(100)45(29-49(73)92)81-64(103)51(33(4)5)83-66(105)55(38(11)90)87-67(106)54(37(10)89)86-60(99)43(20-22-50(93)94)77-57(96)40(71)23-26-110-12/h30-38,40-47,51-55,89-90H,13-29,70-71H2,1-12H3,(H2,72,91)(H2,73,92)(H,74,75)(H,76,100)(H,77,96)(H,78,101)(H,79,102)(H,80,95)(H,81,103)(H,82,104)(H,83,105)(H,84,97)(H,85,98)(H,86,99)(H,87,106)(H,93,94)(H,108,109)/t35-,36-,37+,38+,40-,41-,42-,43-,44-,45-,46-,47-,51-,52-,53-,54-,55-/m0/s1