Nh2-asn-ile-ile-gly-arg-asn-leu-leu-thr-gln-ile-cooh

Structural Information

Molecular Formula

C₅₅H₉₉N₁₇O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C55H99N17O16/c1-12-27(8)41(70-52(85)42(28(9)13-2)69-45(78)31(56)22-38(58)75)51(84)63-24-40(77)64-32(16-15-19-62-55(60)61)46(79)68-36(23-39(59)76)49(82)66-34(20-25(4)5)48(81)67-35(21-26(6)7)50(83)72-44(30(11)73)53(86)65-33(17-18-37(57)74)47(80)71-43(54(87)88)29(10)14-3/h25-36,41-44,73H,12-24,56H2,1-11H3,(H2,57,74)(H2,58,75)(H2,59,76)(H,63,84)(H,64,77)(H,65,86)(H,66,82)(H,67,81)(H,68,79)(H,69,78)(H,70,85)(H,71,80)(H,72,83)(H,87,88)(H4,60,61,62)/t27-,28-,29-,30+,31-,32-,33-,34-,35-,36-,41-,42-,43-,44-/m0/s1

InChIKey

IXFYNLGFPVYIJE-AJRGRXDJSA-N

Compound name

(2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16072585