(2S)-2-[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-3-oxidanyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-3-oxidanyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-hydroxy-4-methyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]-methylamino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-3-methyl-1-oxobutyl]-methylamino]-3-hydroxy-4-methyl-1-oxooct-6-enyl]amino]-1-oxobutyl]-methylamino]-1-oxoethyl]-methylamino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloct-6-enoyl]amino]butanoyl]-methylamino]acetyl]-methylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-hydroxy-4-methyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]acetyl]-methyl-amino]-4-methyl-valeric acid Formula: C62H113N11O13 MolecularWeight: 1220.62652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)O)NC(=O)C(C(C(C)CC=CC)O)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N

Isomeric SMILES

CC[C@@H](C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H]([C@@H]([C@H](C)C/C=C/C)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C62H113N11O13/c1-25-27-28-40(15)52(75)51(55(78)66-43(26-2)57(80)67(18)33-48(74)68(19)47(62(85)86)32-37(9)10)73(24)61(84)50(39(13)14)72(23)59(82)46(31-36(7)8)71(22)58(81)45(30-35(5)6)70(21)56(79)42(17)65-53(76)41(16)64-54(77)44(29-34(3)4)69(20)60(83)49(63)38(11)12/h25,27,34-47,49-52,75H,26,28-33,63H2,1-24H3,(H,64,77)(H,65,76)(H,66,78)(H,85,86)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1