(4S)-4-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylide

Systemtic Name: (4S)-4-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylide Openeye Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-5-[[(1S)-1-[(2S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-5-oxo-pentanoic ac CAS Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-5-[[(2S)-1-[(2S)-2-[[[(2S)-4-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidin IUPAC Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl] Traditional Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-5-[[(1S)-1-[(2S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-5-keto-valeric a Formula: C68H119N19O23 MolecularWeight: 1570.78596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N)O

InChI

InChI=1S/C68H119N19O23/c1-29(2)22-39(81-65(107)52(35(12)90)85-60(102)41(24-31(5)6)80-64(106)51(33(9)10)84-59(101)40(23-30(3)4)77-61(103)45(28-88)83-63(105)50(71)34(11)89)56(98)78-42(26-47(69)92)57(99)76-38(18-19-49(94)95)54(96)82-44(25-32(7)8)66(108)87-21-15-17-46(87)62(104)79-43(27-48(70)93)58(100)75-37(16-14-20-74-68(72)73)55(97)86-53(36(13)91)67(109)110/h29-46,50-53,88-91H,14-28,71H2,1-13H3,(H2,69,92)(H2,70,93)(H,75,100)(H,76,99)(H,77,103)(H,78,98)(H,79,104)(H,80,106)(H,81,107)(H,82,96)(H,83,105)(H,84,101)(H,85,102)(H,86,97)(H,94,95)(H,109,110)(H4,72,73,74)/t34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,50+,51+,52+,53+/m1/s1