(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-5-azanyl-2-(2-azanylethanoylamino)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-5-azanyl-2-(2-azanylethanoylamino)-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-[(2-amino-1-oxoethyl)amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-(glycylamino)-5-keto-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]prolyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-4-methyl-valeric acid Formula: C61H101N17O22S MolecularWeight: 1456.62034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)CN

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)CN

InChI

InChI=1S/C61H101N17O22S/c1-30(2)20-36(53(91)67-27-49(86)77-17-8-10-42(77)58(96)72-34(13-15-45(64)82)54(92)71-35(16-19-101-7)55(93)76-39(61(99)100)22-32(5)6)73-56(94)38(23-50(87)88)74-57(95)40(28-79)69-47(84)25-66-52(90)37(21-31(3)4)75-59(97)43-11-9-18-78(43)60(98)41(29-80)70-48(85)26-65-51(89)33(12-14-44(63)81)68-46(83)24-62/h30-43,79-80H,8-29,62H2,1-7H3,(H2,63,81)(H2,64,82)(H,65,89)(H,66,90)(H,67,91)(H,68,83)(H,69,84)(H,70,85)(H,71,92)(H,72,96)(H,73,94)(H,74,95)(H,75,97)(H,76,93)(H,87,88)(H,99,100)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1