(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propano

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propano Openeye Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl] CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]a IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]butane Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-penta Formula: C62H103N19O30 MolecularWeight: 1594.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(C(C)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C62H103N19O30/c1-7-25(4)47(60(108)70-29(11-12-39(64)87)51(99)76-35(62(110)111)19-45(95)96)81-58(106)38(23-84)77-50(98)28(10-8-9-13-63)69-52(100)30(14-24(2)3)71-54(102)33(17-43(91)92)72-57(105)37(22-83)79-55(103)34(18-44(93)94)73-56(104)36(21-82)78-53(101)32(16-41(66)89)75-61(109)48(27(6)86)80-42(90)20-68-49(97)31(15-40(65)88)74-59(107)46(67)26(5)85/h24-38,46-48,82-86H,7-23,63,67H2,1-6H3,(H2,64,87)(H2,65,88)(H2,66,89)(H,68,97)(H,69,100)(H,70,108)(H,71,102)(H,72,105)(H,73,104)(H,74,107)(H,75,109)(H,76,99)(H,77,98)(H,78,101)(H,79,103)(H,80,90)(H,81,106)(H,91,92)(H,93,94)(H,95,96)(H,110,111)/t25-,26+,27+,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,46-,47-,48-/m0/s1