Nh2-y-v-s-q-n-f-p-i-v-q-n-r-oh

Structural Information

Molecular Formula

C₆₆H₁₀₁N₁₉O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C66H101N19O19/c1-7-34(6)53(63(101)83-52(33(4)5)61(99)76-40(22-24-48(69)89)56(94)78-42(29-49(70)90)57(95)77-41(65(103)104)15-11-25-74-66(72)73)84-60(98)46-16-12-26-85(46)64(102)44(28-35-13-9-8-10-14-35)80-58(96)43(30-50(71)91)79-55(93)39(21-23-47(68)88)75-59(97)45(31-86)81-62(100)51(32(2)3)82-54(92)38(67)27-36-17-19-37(87)20-18-36/h8-10,13-14,17-20,32-34,38-46,51-53,86-87H,7,11-12,15-16,21-31,67H2,1-6H3,(H2,68,88)(H2,69,89)(H2,70,90)(H2,71,91)(H,75,97)(H,76,99)(H,77,95)(H,78,94)(H,79,93)(H,80,96)(H,81,100)(H,82,92)(H,83,101)(H,84,98)(H,103,104)(H4,72,73,74)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-,53-/m0/s1

InChIKey

ALLYTMJUONUSOY-XCDMVFRISA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25084026